1H-indol-3-yl(morpholin-4-yl)methanethione
TL;DR: 1H-indol-3-yl(morpholin-4-yl)methanethione (CAS 54921-45-8) is a chemical compound with molecular formula C13H14N2OS and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indol-3-yl(morpholin-4-yl)methanethione
Also Known As: (3-indolyl)morpholinomethanethione, 1H-indol-3-yl(morpholin-4-yl)methanethione, 3-(MORPHOLINE-4-CARBOTHIOYL)-1H-INDOLE, (1H-indol-3-yl)(morpholino)methanethione, 1H-indol-3-yl(morpholino)methanethione
| Molecular Formula | C13H14N2OS |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.08269 |
| Heavy Atoms | 17 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 54921-45-8 |
|---|---|
| SMILES | C1COCCN1C(=S)C2=CNC3=CC=CC=C32 |
| InChIKey | LPNFNROQKIYLPG-UHFFFAOYSA-N |
Product Overview
1H-indol-3-yl(morpholin-4-yl)methanethione (CAS 54921-45-8), with molecular formula C13H14N2OS and molecular weight 246.08 g/mol. IUPAC: 1H-indol-3-yl(morpholin-4-yl)methanethione.
Chemical Property Profile of 1H-indol-3-yl(morpholin-4-yl)methanethione
Property Insights of 1H-indol-3-yl(morpholin-4-yl)methanethione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-indol-3-yl(morpholin-4-yl)methanethione. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-indol-3-yl(morpholin-4-yl)methanethione. Following Lipinski's Rule of Five, 1H-indol-3-yl(morpholin-4-yl)methanethione has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-indol-3-yl(morpholin-4-yl)methanethione?
The CAS number of 1H-indol-3-yl(morpholin-4-yl)methanethione is 54921-45-8.
What is the molecular formula of 1H-indol-3-yl(morpholin-4-yl)methanethione?
The molecular formula of 1H-indol-3-yl(morpholin-4-yl)methanethione is C13H14N2OS.
What is the molecular weight of 1H-indol-3-yl(morpholin-4-yl)methanethione?
The molecular weight of 1H-indol-3-yl(morpholin-4-yl)methanethione is 246.08 g/mol.
Where can I buy 1H-indol-3-yl(morpholin-4-yl)methanethione?
You can request a quote for 1H-indol-3-yl(morpholin-4-yl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-indol-3-yl(morpholin-4-yl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for 1H-indol-3-yl(morpholin-4-yl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.